C547-0718 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

C547-0718 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
C547-0718 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0718
N-(3-fluoro-4-methylphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C547-0718

Molecular Formula

C21H21FN2O3 (C21 H21 FN2 O3)

Compound Name

N-(3-fluoro-4-methylphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

IUPAC name

N-(3-fluoro-4-methylphenyl)-4-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]butanamide

SMILES

Cc(ccc(NC(CCCOC(c(cccc1)c1N1C)=CC1=O)=O)c1)c1F

InChI

InChI=1S/C21H21FN2O3/c1-14-9-10-15(12-17(14)22)23-20(25)8-5-11-27-19-13-21(26)24(2)18-7-4-3-6-16(18)19/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25)

InChI Key

XHTYPMVKDCVYGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.57

Polar Surface Area

45.642

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C547-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0718?
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What is the minimum amount of C547-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0718
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C547-0718 available by request